Compound Detail
CHEMBL5417047
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5417047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIBLSUOUYKIONH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.45
ALogP
5
HBA
2
HBD
63.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene C4 synthase CHEMBL1743183 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene C4 synthase | IC50 | = | 2.0 | nM | 8.7 | Inhibition of LTC4 (unknown origin) | 36731273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36731273 | 10.1016/j.ejmech.2023.115151 | Leukotriene C4 synthase | 1 |
Data from ChEMBL 36 via Core Engine